5AO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAJ | sing | 1.40Å | 1.33Å | |
| CAB | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAD | CAK | doub | 1.40Å | 1.39Å | Aromatic |
| CAE | NAH | doub | 1.30Å | 1.33Å | Aromatic |
| CAE | OAI | sing | 1.34Å | 1.37Å | Aromatic |
| CAF | NAH | sing | 1.34Å | 1.33Å | Aromatic |
| CAF | CAL | doub | 1.36Å | 1.33Å | Aromatic |
| CAG | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAK | sing | 1.40Å | 1.39Å | Aromatic |
| OAI | CAL | sing | 1.35Å | 1.36Å | Aromatic |
| CAK | CAL | sing | 1.48Å | 1.40Å | Aromatic |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAA | HNAB | sing | 0.97Å | 1.00Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CAJ | CAC | 120.2° | 120.0° |
| NAA | CAJ | CAG | 119.9° | 120.0° |
| CAJ | NAA | HNAA | 109.5° | 120.0° |
| CAJ | NAA | HNAB | 109.4° | 120.0° |
| CAC | CAB | CAD | 120.0° | 120.2° |
| CAB | CAC | CAJ | 119.8° | 120.2° |
| CAC | CAB | HAB | 120.0° | 119.9° |
| CAB | CAC | HAC | 120.1° | 119.8° |
| CAB | CAD | CAK | 120.4° | 120.0° |
| CAD | CAB | HAB | 120.0° | 119.9° |
| CAB | CAD | HAD | 119.8° | 120.0° |
| CAC | CAJ | CAG | 119.9° | 120.0° |
| CAJ | CAC | HAC | 120.1° | 119.9° |
| CAD | CAK | CAG | 119.3° | 119.8° |
| CAD | CAK | CAL | 121.2° | 120.1° |
| CAK | CAD | HAD | 119.8° | 120.0° |
| NAH | CAE | OAI | 107.6° | 109.1° |
| CAE | NAH | CAF | 108.9° | 108.9° |
| NAH | CAE | HAE | 126.2° | 125.5° |
| CAE | OAI | CAL | 106.6° | 107.7° |
| OAI | CAE | HAE | 126.2° | 125.5° |
| NAH | CAF | CAL | 108.7° | 107.5° |
| NAH | CAF | HAF | 125.6° | 126.2° |
| CAF | CAL | OAI | 108.2° | 106.8° |
| CAF | CAL | CAK | 129.3° | 126.6° |
| CAL | CAF | HAF | 125.6° | 126.2° |
| CAJ | CAG | CAK | 120.6° | 119.7° |
| CAJ | CAG | HAG | 119.7° | 120.2° |
| CAG | CAK | CAL | 119.6° | 120.1° |
| CAK | CAG | HAG | 119.7° | 120.1° |
| OAI | CAL | CAK | 122.5° | 126.6° |
| HNAA | NAA | HNAB | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CAJ | CAC | CAB | 179.8° | 180.0° |
| NAA | CAJ | CAC | CAG | 179.9° | 180.0° |
| NAA | CAJ | CAG | CAK | 179.9° | 180.0° |
| CAJ | NAA | HNAA | HNAB | 120.0° | 179.7° |
| NAA | CAJ | CAC | HAC | 0.2° | 0.0° |
| NAA | CAJ | CAG | HAG | 0.1° | 0.1° |
| CAC | CAB | CAD | HAB | 180.0° | 179.8° |
| CAB | CAC | CAJ | HAC | 180.0° | 180.0° |
| CAC | CAB | CAD | CAK | 0.3° | 0.0° |
| CAB | CAC | CAJ | CAG | 0.3° | 0.0° |
| CAC | CAB | CAD | HAD | 179.8° | 180.0° |
| CAD | CAB | CAC | CAJ | 0.4° | 0.0° |
| CAB | CAD | CAK | HAD | 180.0° | 180.0° |
| CAB | CAD | CAK | CAG | 0.1° | 0.0° |
| CAB | CAD | CAK | CAL | 179.9° | 180.0° |
| CAD | CAB | CAC | HAC | 179.6° | 180.0° |
| CAC | CAJ | CAG | CAK | 0.2° | 0.0° |
| CAC | CAJ | NAA | HNAA | 180.0° | 0.0° |
| CAC | CAJ | NAA | HNAB | 60.0° | 179.7° |
| CAJ | CAC | CAB | HAB | 179.6° | 179.8° |
| CAC | CAJ | CAG | HAG | 179.8° | 179.9° |
| CAD | CAK | CAL | CAF | 5.9° | 0.1° |
| CAD | CAK | CAG | CAJ | 0.1° | 0.0° |
| CAD | CAK | CAG | CAL | 180.0° | 180.0° |
| CAD | CAK | CAL | OAI | 174.3° | 180.0° |
| CAK | CAD | CAB | HAB | 179.7° | 179.8° |
| CAD | CAK | CAG | HAG | 179.9° | 179.9° |
| NAH | CAE | OAI | HAE | 180.0° | 179.6° |
| CAE | NAH | CAF | CAL | 0.3° | 0.0° |
| NAH | CAE | OAI | CAL | 0.1° | 0.1° |
| CAE | NAH | CAF | HAF | 179.8° | 179.9° |
| OAI | CAE | NAH | CAF | 0.2° | 0.0° |
| CAE | OAI | CAL | CAF | 0.0° | 0.1° |
| CAE | OAI | CAL | CAK | 179.8° | 180.0° |
| NAH | CAF | CAL | HAF | 180.0° | 179.9° |
| NAH | CAF | CAL | OAI | 0.2° | 0.1° |
| NAH | CAF | CAL | CAK | 180.0° | 180.0° |
| CAF | NAH | CAE | HAE | 179.7° | 179.7° |
| CAF | CAL | CAK | CAG | 174.1° | 179.9° |
| CAF | CAL | OAI | CAK | 179.8° | 180.0° |
| CAJ | CAG | CAK | HAG | 180.0° | 179.9° |
| CAJ | CAG | CAK | CAL | 180.0° | 180.0° |
| CAG | CAJ | NAA | HNAA | 0.1° | 180.0° |
| CAG | CAJ | NAA | HNAB | 119.9° | 0.3° |
| CAG | CAJ | CAC | HAC | 179.7° | 180.0° |
| CAG | CAK | CAL | OAI | 5.7° | 0.0° |
| CAG | CAK | CAD | HAD | 179.9° | 180.0° |
| CAL | OAI | CAE | HAE | 179.8° | 179.7° |
| OAI | CAL | CAF | HAF | 179.9° | 180.0° |
| CAL | CAK | CAD | HAD | 0.1° | 0.0° |
| CAK | CAL | CAF | HAF | 0.0° | 0.1° |
| CAL | CAK | CAG | HAG | 0.0° | 0.1° |
| HAB | CAB | CAC | HAC | 0.4° | 0.2° |
| HAB | CAB | CAD | HAD | 0.3° | 0.2° |
